3239341 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 8 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 15 16 17 17 18 18 20 20 20 21 21 22 22 23 24 24 25 25 25 26 26 27 28 29 29 29 14 20 16 19 14 15 27 29 12 13 14 9 15 39 19 23 10 11 30 12 31 32 13 33 34 35 36 37 38 16 17 18 40 19 21 25 42 43 22 41 23 24 26 27 44 46 47 48 28 45 28 49 50 51 52 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 14.7939 8.2103 14.7939 10.2939 2.868 13.2939 10.2939 6.3981 11.2939 11.7939 11.7939 12.7939 12.7939 14.2939 9.7939 8.7939 8.2103 7.2641 7.2641 15.7939 6.3981 5.532 5.532 4.6381 16.2939 4.6381 3.732 3.732 2 10.9839 11.9016 11.2113 11.2113 11.9016 13.3765 12.6863 12.6863 13.3765 9.9839 8.4029 6.3981 16.3765 15.6863 4.6453 4.6453 15.757 16.6039 16.8309 3.1963 1.6921 1.4619 2.3079 -0.9503 -0.023 0.7817 1.6477 1.8059 -0.0843 -0.0843 -0.2183 -0.0843 0.7817 -0.9503 0.7817 -0.9503 -0.0843 0.7817 0.7817 1.5864 1.2817 0.2817 -0.9503 1.7817 1.2817 0.2817 1.8164 -1.8164 -0.253 1.3025 0.2609 1.3092 0.4526 1.3923 0.9938 -1.1624 -1.5609 0.9938 1.3923 -1.5609 -1.1624 -0.6213 2.1758 2.4017 -0.7383 -0.3398 2.4363 -0.8729 -2.1264 -2.3533 -1.5064 -0.0512 1.8473 1.0013 0.7711 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 8 8 16 17 18 18 21 22 22 23 24 26 27 16 19 19 23 17 18 19 21 22 23 24 26 27 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 595 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38000000000000000000000000000001200000003C5880000000000058B1FE00001E00100000000C2CE19E0632CEF3C81440A803A5725C028288202D22200898A1FE6CD80E26F2C4F5BF8F3928E4D611D8E987BCDFF39E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethyl 4-[(6-methoxyfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[(6-methoxy-2-furo[2,3-b]quinolinyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethyl 4-[(6-methoxyfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethyl 4-[(6-methoxyfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethyl 4-[(6-methoxyfuro[2,3-b]quinolin-2-yl)carbonylamino]piperidine-1-carboxylate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(6-methoxyfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H23N3O5/c1-3-28-21(26)24-8-6-15(7-9-24)22-19(25)18-12-14-10-13-11-16(27-2)4-5-17(13)23-20(14)29-18/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,22,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AIUSZXKSILRDIB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.16377084 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H23N3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(O2)N=C4C=CC(=CC4=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(O2)N=C4C=CC(=CC4=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 93.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.16377084 29 0 0 0 0 0 0 0 1 -1